Glycoside
GD155691
Name:
1-acetyl-1,3a-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl acetateFormula:
C30H46O9Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CC(OC(C)=O)C3(C)C(O)(C(C)=O)CCC43O)C2)OC(C)C1OAglycone:
CC(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(O)(C(C)=O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 550.69 | Num_heavy_atoms: | 39 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD47639
Formula: C23H34O6
Smiles:
CC(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(O)(C(C)=O)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 406.52 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
